Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9942    0.4229   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -0.6088    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   -0.0497    0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    0.6375    1.5461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4371   -0.2646   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.2512    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    1.3918    0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0271    0.0377   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613    0.4872   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8907   -1.3663   -0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4869   -1.0576    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872   -0.8469   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752    0.8432    0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.1225   -0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers